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69812-51-7,MFCD00627554
Catalog No.:AA00354B

69812-51-7 | Methyl 4-(chlorosulfonyl)benzoate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
93%
in stock  
$6.00   $4.00
- +
1g
93%
in stock  
$22.00   $15.00
- +
5g
93%
in stock  
$32.00   $22.00
- +
10g
93%
in stock  
$58.00   $41.00
- +
25g
93%
in stock  
$144.00   $101.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00354B
Chemical Name:
Methyl 4-(chlorosulfonyl)benzoate
CAS Number:
69812-51-7
Molecular Formula:
C8H7ClO4S
Molecular Weight:
234.6568
MDL Number:
MFCD00627554
SMILES:
COC(=O)c1ccc(cc1)S(=O)(=O)Cl
Properties
Properties
 
Form:
Solid  
MP:
72-73℃  
Storage:
Inert atmosphere;2-8℃;  

Computed Properties
 
Complexity:
298  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Rotatable Bond Count:
3  
XLogP3:
2.1  

Upstream Synthesis Route

[1]Patent:WO2005/66126,2005,A1,.Locationinpatent:Page/Pagecolumn73-74

[2]Patent:US9247759,2016,B2,.Locationinpatent:Page/Pagecolumn144;145

[3]RecueildesTravauxChimiquesdesPays-Bas,1957,vol.76,p.129,138,145

[1]Patent:WO2008/118758,2008,A1,.Locationinpatent:Page/Pagecolumn214

[2]Patent:WO2009/36016,2009,A1,.Locationinpatent:Page/Pagecolumn85

[3]Patent:WO2010/35166,2010,A1,.Locationinpatent:Page/Pagecolumn67

[1]Patent:US2009/274632,2009,A1,

[2]Patent:US6177466,2001,B1,

[3]Patent:US9247759,2016,B2,

[1]ChemSusChem,2017,vol.10,#1,p.151-155

[1]JournaloftheAmericanChemicalSociety,2013,vol.135,#29,p.10638-10641

Downstream Synthesis Route

[1]JournalofOrganicChemistryUSSR(EnglishTranslation),1987,vol.23,p.335-342    ZhurnalOrganicheskoiKhimii,1987,vol.23,p.375-382

[2]RecueildesTravauxChimiquesdesPays-Bas,1957,vol.76,p.129,138,145

[3]Patent:EP1333321,2003,A1

[1]MagneticResonanceinChemistry,1989,vol.27,p.585-591

[1]BioorganicandMedicinalChemistryLetters,2006,vol.16,p.1638-1642

69812-51-7    100-61-8   
4-(methyl-phenyl-sulfamoyl)-benzoicacidmethylester 

[1]BioorganicandMedicinalChemistryLetters,2006,vol.16,p.1638-1642

1010107-95-5    69812-51-7   
4-{6-3-(2,6-dichloro-phenyl)-5-isopropyl-isoxazol-4-ylmethoxy-2-methyl-pyridin-3-ylsulfamoyl}-benzoicacidmethylester 

[1]Patent:EP1894924,2008,A1.Locationinpatent:Page/Pagecolumn24-25

Literature
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SDS
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